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I outlined some minor technical comments, but there is one more serious issue that may or may not apply here given the nature of the dictionary.

Normally, a release would be carried out by making a separate branch in this repository and then making a tag release, i.e. making an immutable copy of version 1.0.0 that can be referenced individually, has its own proper URL, etc.. @jamesrhester has made two such releases for the CIF_CORE dictionary (e.g. https://github.com/COMCIFS/cif_core/tree/3.2.0). I would recommend doing this here as well even though this is not treated as a fully fledged separate dictionary.

If it is decided to go the tag-release way, we need to not forget to change the URL in the release branch to point to the specific tag. Normally, a DOI would also be added, but I guess it does not apply here.

Finally, I was wondering why it was decided to merge the dictionary into CIF_CORE instead of importing CIF_CORE and keeping the development separate. I am not arguing against this decision, just interested.

@nautolycus nautolycus marked this pull request as draft February 18, 2025 12:14
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For the record, there are a few reasons why it is preferred to merge the contents of this dictionary into the core dictionary. One is that the cif_ed.dic dictionary is small. I know there's no (lower) size limit, but it was thought to be relatively insignificant, at least in its current form, as a standalone project. Second, it's not clear if there will be a continuing community development effort. If not, having these definitions integral to the core allows them to have a sustained existence. On the other hand, if cif_ed continues to develop, it is useful to have the development site in place. Note also that the draft_new_items.dic, if developed further, is a natural for incorporation into imgCIF, so the cif_ed project could be used to develop different dictionary subsidiaries (and updates). But I think most significantly, most of the definitions have applications beyond ED. Although in practice dynamic refinement and mosaicity are rarely encountered in X-ray single-crystal work, they are basic concepts that could well be used in X-ray or general structure determination and reporting.

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